data_1825 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Anantin-A peptide antagonist of the atrial natriuretic factor(ANF) II. Determination of the primary sequence by NMR on the basis of proton assignments ; _BMRB_accession_number 1825 _BMRB_flat_file_name bmr1825.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wyss Daniel F. . 2 Lahm H. -W . 3 Manneberg M. . . 4 Labhardt Alexander M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-15 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Wyss, Daniel F., Lahm, H.-W., Manneberg, M., Labhardt, Alexander M., "Anantin-A peptide antagonist of the atrial natriuretic factor(ANF) II. Determination of the primary sequence by NMR on the basis of proton assignments," J. Antibiot. 44 (2), 172-180 (1991). ; _Citation_title ; Anantin-A peptide antagonist of the atrial natriuretic factor(ANF) II. Determination of the primary sequence by NMR on the basis of proton assignments ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wyss Daniel F. . 2 Lahm H. -W . 3 Manneberg M. . . 4 Labhardt Alexander M. . stop_ _Journal_abbreviation 'J. Antibiot.' _Journal_volume 44 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 172 _Page_last 180 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_system_Anantin-A_peptide _Saveframe_category molecular_system _Mol_system_name 'Anantin-A peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Anantin-A peptide' $Anantin-A_peptide stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Anantin-A_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Anantin-A peptide' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 17 _Mol_residue_sequence XFIGWGNXIFGHYSGDF loop_ _Residue_seq_code _Residue_label 1 X 2 PHE 3 ILE 4 GLY 5 TRP 6 GLY 7 ASN 8 X 9 ILE 10 PHE 11 GLY 12 HIS 13 TYR 14 SER 15 GLY 16 ASP 17 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 1826 "Anantin-A peptide" 94.12 17 100.00 100.00 1.18e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $Anantin-A_peptide . 1897 Bacteria . Streptomyces coerulescens generic stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Anantin-A_peptide 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.6 . na temperature 285 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio_citation_label _Correction_value_citation_label TSP H . . ppm 0 . . . . . $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'Anantin-A peptide' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 PHE H H 9.005 . 1 2 . 2 PHE HA H 4.96 . 1 3 . 2 PHE HB2 H 3.44 . 2 4 . 2 PHE HB3 H 3.15 . 2 5 . 2 PHE HD1 H 7.31 . 1 6 . 2 PHE HD2 H 7.31 . 1 7 . 2 PHE HE1 H 7.31 . 1 8 . 2 PHE HE2 H 7.31 . 1 9 . 2 PHE HZ H 7.31 . 1 10 . 3 ILE H H 8.26 . 1 11 . 3 ILE HA H 3.825 . 1 12 . 3 ILE HB H 1.745 . 1 13 . 3 ILE HG12 H 1.56 . 2 14 . 3 ILE HG13 H 1.1 . 2 15 . 3 ILE HG2 H .86 . 1 16 . 3 ILE HD1 H .875 . 1 17 . 4 GLY H H 8.34 . 1 18 . 4 GLY HA2 H 4.435 . 2 19 . 4 GLY HA3 H 3.43 . 2 20 . 5 TRP H H 8.81 . 1 21 . 5 TRP HA H 5.2 . 1 22 . 5 TRP HB2 H 3.32 . 2 23 . 5 TRP HB3 H 3.12 . 2 24 . 5 TRP HD1 H 7.255 . 1 25 . 5 TRP HE1 H 10.3 . 1 26 . 5 TRP HE3 H 7.73 . 1 27 . 5 TRP HZ2 H 7.395 . 1 28 . 5 TRP HZ3 H 7.015 . 1 29 . 5 TRP HH2 H 7.165 . 1 30 . 6 GLY H H 7.505 . 1 31 . 6 GLY HA2 H 4.285 . 2 32 . 6 GLY HA3 H 3.595 . 2 33 . 7 ASN H H 8.085 . 1 34 . 7 ASN HA H 4.98 . 1 35 . 7 ASN HB2 H 3 . 2 36 . 7 ASN HB3 H 2.68 . 2 37 . 7 ASN HD21 H 7.725 . 2 38 . 7 ASN HD22 H 6.96 . 2 39 . 9 ILE H H 8.305 . 1 40 . 9 ILE HA H 3.86 . 1 41 . 9 ILE HB H 1.575 . 1 42 . 9 ILE HG12 H .96 . 2 43 . 9 ILE HG13 H .875 . 2 44 . 9 ILE HG2 H .31 . 1 45 . 9 ILE HD1 H .685 . 1 46 . 10 PHE H H 7.2 . 1 47 . 10 PHE HA H 5.09 . 1 48 . 10 PHE HB2 H 3.745 . 2 49 . 10 PHE HB3 H 2.62 . 2 50 . 10 PHE HD1 H 7.23 . 1 51 . 10 PHE HD2 H 7.23 . 1 52 . 10 PHE HE1 H 7.23 . 1 53 . 10 PHE HE2 H 7.23 . 1 54 . 10 PHE HZ H 7.23 . 1 55 . 11 GLY H H 8.8 . 1 56 . 11 GLY HA2 H 4.09 . 2 57 . 11 GLY HA3 H 3.98 . 2 58 . 12 HIS H H 7.59 . 1 59 . 12 HIS HA H 5.33 . 1 60 . 12 HIS HB2 H 4.215 . 2 61 . 12 HIS HB3 H 2.49 . 2 62 . 12 HIS HD2 H 7.17 . 1 63 . 12 HIS HE1 H 8.345 . 1 64 . 13 TYR H H 7.86 . 1 65 . 13 TYR HA H 4.375 . 1 66 . 13 TYR HB2 H 2.99 . 2 67 . 13 TYR HB3 H 2.83 . 2 68 . 13 TYR HD1 H 7.39 . 1 69 . 13 TYR HD2 H 7.39 . 1 70 . 13 TYR HE1 H 6.87 . 1 71 . 13 TYR HE2 H 6.87 . 1 72 . 14 SER H H 8.49 . 1 73 . 14 SER HA H 4.515 . 1 74 . 14 SER HB2 H 3.94 . 2 75 . 14 SER HB3 H 3.725 . 2 76 . 15 GLY H H 5.885 . 1 77 . 15 GLY HA2 H 3.95 . 2 78 . 15 GLY HA3 H 3.49 . 2 79 . 16 ASP H H 8.19 . 1 80 . 16 ASP HA H 4.68 . 1 81 . 16 ASP HB2 H 2.76 . 2 82 . 16 ASP HB3 H 2.625 . 2 83 . 17 PHE H H 7.98 . 1 84 . 17 PHE HA H 4.54 . 1 85 . 17 PHE HB2 H 3.19 . 2 86 . 17 PHE HB3 H 3.035 . 2 87 . 17 PHE HD1 H 7.25 . 1 88 . 17 PHE HD2 H 7.25 . 1 89 . 17 PHE HE1 H 7.25 . 1 90 . 17 PHE HE2 H 7.25 . 1 91 . 17 PHE HZ H 7.25 . 1 stop_ save_